5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C27H34N4O3 — CID 53013192

IUPAC5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCN3CCOCC3)o2)cc1
InChIInChI=1S/C27H34N4O3/c1-20-7-9-21(10-8-20)25-26(31(19-29-25)22-5-3-2-4-6-22)23-11-12-24(34-23)27(32)28-13-14-30-15-17-33-18-16-30/h7-12,19,22H,2-6,13-18H2,1H3,(H,28,32)
InChIKeyUGQZHAZLPDZPMY-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.69
Rot. Bonds7

About 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 53013192) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID53013192
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCN3CCOCC3)o2)cc1
InChIInChI=1S/C27H34N4O3/c1-20-7-9-21(10-8-20)25-26(31(19-29-25)22-5-3-2-4-6-22)23-11-12-24(34-23)27(32)28-13-14-30-15-17-33-18-16-30/h7-12,19,22H,2-6,13-18H2,1H3,(H,28,32)
InChIKeyUGQZHAZLPDZPMY-UHFFFAOYSA-N
XLogP4.69
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 53013192) is 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCN3CCOCC3)o2)cc1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is UGQZHAZLPDZPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-20-7-9-21(10-8-20)25-26(31(19-29-25)22-5-3-2-4-6-22)23-11-12-24(34-23)27(32)28-13-14-30-15-17-33-18-16-30/h7-12,19,22H,2-6,13-18H2,1H3,(H,28,32).
What are the key properties of 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 53013192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).